F0631-0085
TL;DR: F0631-0085 (CAS 851809-57-9) is a chemical compound with molecular formula C21H19ClN4OS and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0085, 5-[(4-chlorophenyl)(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-((4-chlorophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-chlorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C21H19ClN4OS |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 4.60592 |
| Topological Polar Surface Area | 53.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.0968 |
| Heavy Atoms | 28 |
| Complexity | 1151.1447 |
Chemical Identifiers
| CAS Number | 851809-57-9 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Cl)N4CCC5=CC=CC=C5C4)O |
Product Overview
F0631-0085 (CAS 851809-57-9), with molecular formula C21H19ClN4OS and molecular weight 410.10 g/mol. IUPAC: 5-[(4-chlorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0085
Property Insights of F0631-0085
The XLogP value of 4.60592 indicates that F0631-0085 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.66 Ų, F0631-0085 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0631-0085 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0631-0085?
The CAS number of F0631-0085 is 851809-57-9.
What is the molecular formula of F0631-0085?
The molecular formula of F0631-0085 is C21H19ClN4OS.
What is the molecular weight of F0631-0085?
The molecular weight of F0631-0085 is 410.10 g/mol.
Where can I buy F0631-0085?
You can request a quote for F0631-0085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0085?
Yes, KEHONG BIO provides custom synthesis services for F0631-0085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.